dec-5-en-2-one

C10H18O — CID 71363330

IUPACdec-5-en-2-one
SMILESCCCCC=CCCC(C)=O
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyQYPLUMNWWBFAJS-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.10
Rot. Bonds6

About dec-5-en-2-one

dec-5-en-2-one (PubChem CID 71363330) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is dec-5-en-2-one.

Molecular Properties

Compound Namedec-5-en-2-one
PubChem CID71363330
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namedec-5-en-2-one
SMILESCCCCC=CCCC(C)=O
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyQYPLUMNWWBFAJS-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-heptadec-5-en-2-one
CID 87291834
dodec-7-en-2-one
CID 123882998
pentadec-10-en-2-one
CID 71443705
henicos-9-en-2-one
CID 91100997
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
heptatriaconta-6,28-dien-2-one
CID 549930
(Z)-tricos-16-en-2-one
CID 134866400
(E)-dotriacont-23-en-2-one
CID 5365248
tetratriacont-20-en-2-one
CID 56637991
(Z)-9-hydroxynon-5-en-2-one
CID 23261071

Frequently Asked Questions

What is the IUPAC name of dec-5-en-2-one?
The IUPAC name of dec-5-en-2-one (CID 71363330) is dec-5-en-2-one.
What is the SMILES notation for dec-5-en-2-one?
The canonical SMILES for dec-5-en-2-one is CCCCC=CCCC(C)=O.
What is the InChIKey of dec-5-en-2-one?
The InChIKey is QYPLUMNWWBFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of dec-5-en-2-one?
dec-5-en-2-one has a molecular weight of 154.25 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-en-2-one is sourced from PubChem (CID 71363330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).